6TFO
Crystal structure of as isolated three-domain copper-containing nitrite reductase from Hyphomicrobium denitrificans strain 1NES1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.072, 77.072, 754.548 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 66.580 - 2.050 |
R-factor | 0.2297 |
Rwork | 0.227 |
R-free | 0.27890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dv6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.511 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (11.6.04) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.750 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.121 | 0.926 |
Rpim | 0.084 | 0.677 |
Number of reflections | 85026 | 4402 |
<I/σ(I)> | 3.5 | 0.8 |
Completeness [%] | 98.7 | 98.2 |
Redundancy | 4.3 | 4.4 |
CC(1/2) | 0.995 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 20% (w/v) PEG 1,000, 0.1 M Sodium citrate tribasic dihydrate pH5.5, 0.1 M Lithium sulfate monohydrate |